Description

1H-Pyrazole, 3,5-Dimethyl-1-(Methyl-D3)-4-Nitro- (9Ci) is a deuterated pyrazole derivative, a specialized building block of significant interest in advanced chemical synthesis. Its core value lies in the strategic incorporation of deuterium atoms, which can be leveraged to modify the metabolic and pharmacokinetic profiles of target molecules. This compound is primarily needed by research and development teams in the pharmaceutical and agrochemical industries, particularly for applications in drug discovery, metabolic studies, and the development of novel active ingredients. The product is supplied under CAS NO 64678-72-4.

Application

• Pharmaceutical Intermediate: A key deuterated synthon for the research and development of novel Active Pharmaceutical Ingredients (APIs), especially in metabolic stability studies and the creation of deuterated drugs.
• Agrochemical Research: Used in the synthesis of advanced, labeled compounds for the development of new herbicides, fungicides, or insecticides with potentially optimized properties.
• Metabolic Pathway Tracer: Serves as a stable isotopic label in mechanistic studies and metabolic pathway analysis within biological systems.
• Material Science Precursor: Can be utilized in the synthesis of specialized ligands, polymers, or coordination complexes with unique properties.
• Analytical Reference Standard: Employed as a high-purity standard in analytical methods such as HPLC, LC-MS, or NMR for quantification and identification purposes.
• Chemical Biology Probe: Acts as a building block for creating molecular probes to study enzyme mechanisms or protein-ligand interactions.

Basic Information

Product Name	1H-Pyrazole, 3,5-Dimethyl-1-(Methyl-D3)-4-Nitro- (9Ci)
CAS No.	64678-72-4
Molecular Formula	C6H6D3N3O2
Molecular Weight	156.17 g/mol
Synonyms	3,5-Dimethyl-1-(trideuteriomethyl)-4-nitropyrazole; 1-(Methyl-d3)-3,5-dimethyl-4-nitropyrazole; 4-Nitro-3,5-dimethyl-1-(methyl-d3)pyrazole; Deuterated 3,5-Dimethyl-1-methyl-4-nitropyrazole; (Methyl-d3)-3,5-dimethyl-4-nitropyrazole; 1H-Pyrazole-1-(methyl-d3), 3,5-dimethyl-4-nitro-; 64678-72-4; 3,5-Dimethyl-1-(methyl-d3)-4-nitro-1H-pyrazole
EINECS	Contact for details

Quality Control

Our deuterated chemical products undergo rigorous quality testing to ensure batch-to-batch consistency and high isotopic purity. Quality is verified through advanced analytical techniques including NMR (¹H, ¹³C, ²H), HPLC, and GC-MS. A comprehensive Certificate of Analysis (COA) detailing purity, isotopic enrichment (D%), and identification is provided with each shipment. We adhere to strict internal quality management protocols to meet the precise requirements of research and development applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area. Recommended storage temperature is between 2°C and 8°C for long-term stability. Keep away from heat, sparks, and open flame. The container should be kept tightly sealed in a dry environment to minimize exposure to moisture.

Specification

Item	Specification
Appearance	Yellow to light brown crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Isotopic Purity (D%)	≥ 98.0 atom % D
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.